3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide

C16H18N4O2 — CID 46577740

IUPAC3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2nccnc2N)cc1
InChIInChI=1S/C16H18N4O2/c1-3-10-22-13-6-4-12(5-7-13)11-20(2)16(21)14-15(17)19-9-8-18-14/h3-9H,1,10-11H2,2H3,(H2,17,19)
InChIKeyGHWRAGYVMFWAAL-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.90
Rot. Bonds6

About 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide

3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 46577740) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID46577740
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2nccnc2N)cc1
InChIInChI=1S/C16H18N4O2/c1-3-10-22-13-6-4-12(5-7-13)11-20(2)16(21)14-15(17)19-9-8-18-14/h3-9H,1,10-11H2,2H3,(H2,17,19)
InChIKeyGHWRAGYVMFWAAL-UHFFFAOYSA-N
XLogP1.90
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 16597367
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127
4-bromo-3,5-dimethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090762
3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
CID 18136300
1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide
CID 24503369
5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
CID 104684286
(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
CID 103830978
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087901

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide (CID 46577740) is 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide is C=CCOc1ccc(CN(C)C(=O)c2nccnc2N)cc1.
What is the InChIKey of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is GHWRAGYVMFWAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-10-22-13-6-4-12(5-7-13)11-20(2)16(21)14-15(17)19-9-8-18-14/h3-9H,1,10-11H2,2H3,(H2,17,19).
What are the key properties of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46577740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).